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CAS No.: | 57248-88-1 |
---|---|
Name: | Pamidronate disodium salt |
Molecular Structure: | |
Formula: | C3H9NNa2O7P2 |
Molecular Weight: | 279.03 |
Synonyms: | Phosphonicacid, (3-amino-1-hydroxypropylidene)bis-, disodium salt (9CI);3-Amino-1-hydroxypropane-1,1-diphosphonicacid disodium salt;APD;Aminomux;Aredia;CGP 23339A;CGP 23339AE;Disodium3-amino-1-hydroxypropane-1,1-diphosphonate;Pamidronic acid disodium salt; |
EINECS: | 260-647-1 |
Melting Point: | 300 °C |
Boiling Point: | 658.7 °C at 760 mmHg |
Flash Point: | 352.2 °C |
Solubility: | 28 mg/mL in water |
Appearance: | White Crystals |
Hazard Symbols: | Xn |
Risk Codes: | 22-48-41-37/38-20/21/22 |
Safety: | 22-26-36/37/39-45 |
PSA: | 186.59000 |
LogP: | -0.08660 |
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Molecular Structure of Pamidronate disodium salt (CAS NO.57248-88-1):
IUPAC Name: disodium [3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
Empirical Formula: C3H9NNa2O7P2
Molecular Weight: 279.0331
H bond acceptors: 8
H bond donors: 7
Freely Rotating Bonds: 6
Polar Surface Area: 125.15Å2
Flash Point: 352.2 °C
Enthalpy of Vaporization: 111 kJ/mol
Boiling Point: 658.7 °C at 760 mmHg
Vapour Pressure: 3.79E-20 mmHg at 25°C
Melting point: 300 °C
Storage temp: 2-8°C
Solubility H2O: 28 mg/mL
InChI
InChI=1/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
Smiles
C(P(=O)([O-])O)(P(=O)([O-])O)(CCN)O.[Na+].[Na+]
EINECS: 260-647-1
Product Categories: Pharmaceutical material and intermeidates; Bone Resorption Inhibitor; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Phosphorylating and Phosphitylating Agents; API's
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 20mg/kg (20mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 2408, 1994. | |
man | TDLo | oral | 750ug/kg/5D-I (0.75mg/kg) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: DIPLOPIA: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | Australian and New Zealand Journal of Medicine. Vol. 24, Pg. 320, 1994. |
mouse | LD50 | intraperitoneal | 190mg/kg (190mg/kg) | British UK Patent Application. Vol. #2096889, | |
mouse | LD50 | intravenous | 45mg/kg (45mg/kg) | British UK Patent Application. Vol. #2096889, | |
mouse | LD50 | oral | 625mg/kg (625mg/kg) | British UK Patent Application. Vol. #2096889, | |
rat | LD50 | intravenous | 50mg/kg (50mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 2408, 1994. | |
women | TDLo | intravenous | 600ug/kg/6H-C (0.6mg/kg) | Lancet. Vol. 1, Pg. 622, 1987. | |
women | TDLo | intravenous | 900ug/kg (0.9mg/kg) | MUSCULOSKELETAL: JOINTS | Annals of Pharmacotherpy. Vol. 31, Pg. 499, 1997. |
Hazard Codes: Xn
Risk Statements: 22-48-41-37/38-20/21/22
R22:Harmful if swallowed.
R48:Danger of serious damage to health by prolonged exposure.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-26-36/37/39-45
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: SZ6525000
Pamidronate disodium salt , with CAS number of 57248-88-1, can be called (3-Amino-1-hydroxypropylidene)diphosphonic acid disodium salt ; Aminohydroxypropylidene diphosphonate disodium salt ; Disodium 3-amino-1-hydroxypropane-1,1-diphosphonate ; Pamidronic acid disodium salt . It is a white solid, can be used as a bisphosphonate antiresorptive agent.resorption inhibitor.